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ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 526-550 out of 594
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ads_E
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Dipole_val
✕
ads_site
✕
Mass
✕
Username
✕
Maximum stress
✕
526
-0.793
2h
17285.869
hecc
0.008
527
0.375
2h
17285.869
hecc
0.006
528
0.645
2h
17285.869
hecc
0.006
529
0.716
2h
17285.869
hecc
0.005
530
0.779
2h
17285.869
hecc
0.005
531
0.691
2h
17285.869
hecc
0.006
532
-0.008
2h
17285.869
hecc
0.007
533
-4.509
2h
17285.869
hecc
0.008
534
-2.586
2h
17285.869
hecc
0.007
535
-0.999
2h
17285.869
hecc
0.007
536
0.033
2h
17285.869
hecc
0.006
537
0.599
2h
17285.869
hecc
0.006
538
0.730
2h
17285.869
hecc
0.006
539
0.342
2h
17285.869
hecc
0.006
540
-0.060
2h
17285.869
hecc
0.007
541
0.018
3h
17285.869
hecc
0.007
542
-0.018
3h
17285.869
hecc
0.007
543
-3.363
3h
17285.869
hecc
0.008
544
-0.802
3h
17285.869
hecc
0.007
545
0.352
3h
17285.869
hecc
0.006
546
0.620
3h
17285.869
hecc
0.005
547
0.718
3h
17285.869
hecc
0.005
548
0.820
3h
17285.869
hecc
0.006
549
0.747
3h
17285.869
hecc
0.006
550
-0.010
3h
17285.869
hecc
0.007
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